3,4-Epoxybutyl-beta-cellobioside
TL;DR: 3,4-Epoxybutyl-beta-cellobioside (CAS 120593-63-7) is a chemical compound with molecular formula C16H28O12 and molecular weight 412.15808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(oxiran-2-yl)ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 3,4-Ebcb, 3,4-Epoxybutyl-beta-cellobioside, 3,4-epoxybutyl, A-cellobioside, 2-(Oxiran-2-yl)ethyl 4-O-hexopyranosylhexopyranoside
Technical Specifications
| Molecular Formula | C16H28O12 |
| Molecular Weight | 412.15808 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.15808 Da |
| Heavy Atoms | 28 |
| Complexity | 494.0 |
| SMILES | C1C(O1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
| InChIKey | GWWSDHCFVLUUTB-WWARCEGRSA-N |
Chemical Property Profile of 3,4-Epoxybutyl-beta-cellobioside
Property Insights of 3,4-Epoxybutyl-beta-cellobioside
The XLogP value of -4.1 indicates that 3,4-Epoxybutyl-beta-cellobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 3,4-Epoxybutyl-beta-cellobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Epoxybutyl-beta-cellobioside has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,4-Epoxybutyl-beta-cellobioside?
The CAS number of 3,4-Epoxybutyl-beta-cellobioside is 120593-63-7.
What is the molecular formula of 3,4-Epoxybutyl-beta-cellobioside?
The molecular formula of 3,4-Epoxybutyl-beta-cellobioside is C16H28O12.
What is the molecular weight of 3,4-Epoxybutyl-beta-cellobioside?
The molecular weight of 3,4-Epoxybutyl-beta-cellobioside is 412.15808 g/mol.
Where can I buy 3,4-Epoxybutyl-beta-cellobioside?
You can request a quote for 3,4-Epoxybutyl-beta-cellobioside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Epoxybutyl-beta-cellobioside?
Yes, CoreyChem provides custom synthesis services for 3,4-Epoxybutyl-beta-cellobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.